SCHEMBL13636784

SCHEMBL13636784

C[Si](C)(C)c1cc(/C=C/c2ccc(N(c3ccc(/C=C/c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)cc3)c3ccc(/C=C/c4cc([Si](C)(C)C)cc([Si](C)(C)C)c4)cc3)cc2)cc([Si](C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CASP1 P29466 2/20 0.40
HBB P68871 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
RELA Q04206 1/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9604058 0.86 MAPT (0.44) PTGS1MAPTMEN1KMT2ACASP1
SCHEMBL13636781 0.84 APP (0.46) MAPTMEN1KMT2ACASP1HBB
SCHEMBL12128520 0.81 MAPT (0.40) PTGS1MAPTMEN1KMT2ACASP1
SCHEMBL12128483 0.81 MAPT (0.40) PTGS1MAPTMEN1KMT2ACASP1
SCHEMBL15298706 0.77 MAPT (0.37) PTGS1MAPTMEN1KMT2ACASP1
SCHEMBL14461262 0.77 ALOX5 (0.44) PTGS1MAPTMEN1KMT2ACASP1
SCHEMBL30307012 0.75 CYP1A2 (0.51) PTGS1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13636797 0.75 CYP1A2 (0.42) MAPTMEN1KMT2ACASP1HBB
SCHEMBL20910232 0.75 MAPT (0.36) PTGS1MAPTMEN1KMT2ACASP1
SCHEMBL26410129 0.75 CYP1A1 (0.46) MAPTMEN1KMT2ACASP1HBB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-8785001-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 US disclosed
US-8304095-B2 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-11-06 US disclosed
US-20080297037-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-04 US disclosed
US-20080272693-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-11-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080272693-A1 Organic Electroluminescent Devices EML4, MT-ND4L, EPCAM PTGS1 4105/4885MAPT 398/4885MEN1 3327/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.